4-(1-aminoethyl)-3-pyridin-3-yl-N-pyridin-4-ylbenzamide

C19H18N4O — CID 16666141

IUPAC4-(1-aminoethyl)-3-pyridin-3-yl-N-pyridin-4-ylbenzamide
SMILESCC(N)c1ccc(C(=O)Nc2ccncc2)cc1-c1cccnc1
InChIInChI=1S/C19H18N4O/c1-13(20)17-5-4-14(11-18(17)15-3-2-8-22-12-15)19(24)23-16-6-9-21-10-7-16/h2-13H,20H2,1H3,(H,21,23,24)
InChIKeySQZMQRMCWULESW-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.42
Rot. Bonds4

About 4-(1-aminoethyl)-3-pyridin-3-yl-N-pyridin-4-ylbenzamide

4-(1-aminoethyl)-3-pyridin-3-yl-N-pyridin-4-ylbenzamide (PubChem CID 16666141) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-(1-aminoethyl)-3-pyridin-3-yl-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-3-pyridin-3-yl-N-pyridin-4-ylbenzamide
PubChem CID16666141
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name4-(1-aminoethyl)-3-pyridin-3-yl-N-pyridin-4-ylbenzamide
SMILESCC(N)c1ccc(C(=O)Nc2ccncc2)cc1-c1cccnc1
InChIInChI=1S/C19H18N4O/c1-13(20)17-5-4-14(11-18(17)15-3-2-8-22-12-15)19(24)23-16-6-9-21-10-7-16/h2-13H,20H2,1H3,(H,21,23,24)
InChIKeySQZMQRMCWULESW-UHFFFAOYSA-N
XLogP3.42
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylethyl 3-[2-(1-aminoethyl)-5-(pyridin-4-ylcarbamoyl)phenyl]benzoate
CID 71115628
propyl 3-[2-(1-aminoethyl)-5-[(3-fluoro-4-pyridinyl)carbamoyl]phenyl]benzoate;propyl 3-[2-(1-aminoethyl)-5-(pyridin-4-ylcarbamoyl)phenyl]benzoate
CID 161008518
4-(1-aminoethyl)-3-(phenylcarbamoylamino)-N-pyridin-4-ylbenzamide
CID 16665979
4-(1-aminoethyl)-3-nitro-N-pyridin-4-ylbenzamide;dihydrochloride
CID 69077276
4-(1-aminoethyl)-3-(phenylcarbamothioylamino)-N-pyridin-4-ylbenzamide
CID 16665978
4-(1-aminoethyl)-3-(3-aminopropyl)-N-pyridin-4-ylbenzamide
CID 16665899
4-(1-aminoethyl)-3-(3-hydroxypropoxy)-N-pyridin-4-ylbenzamide
CID 16665897
4-(1-aminoethyl)-3-(benzylamino)-N-pyridin-4-ylbenzamide
CID 16665980
4-(1-aminoethyl)-3-(3-aminopropoxy)-N-pyridin-4-ylbenzamide;trihydrochloride
CID 69076885
phenyl 3-[2-(1-aminoethyl)-5-[(3-fluoro-4-pyridinyl)carbamoyl]phenyl]benzoate
CID 89287386
N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide
CID 16782541
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-3-pyridin-3-yl-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-(1-aminoethyl)-3-pyridin-3-yl-N-pyridin-4-ylbenzamide (CID 16666141) is 4-(1-aminoethyl)-3-pyridin-3-yl-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-(1-aminoethyl)-3-pyridin-3-yl-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-(1-aminoethyl)-3-pyridin-3-yl-N-pyridin-4-ylbenzamide is CC(N)c1ccc(C(=O)Nc2ccncc2)cc1-c1cccnc1.
What is the InChIKey of 4-(1-aminoethyl)-3-pyridin-3-yl-N-pyridin-4-ylbenzamide?
The InChIKey is SQZMQRMCWULESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13(20)17-5-4-14(11-18(17)15-3-2-8-22-12-15)19(24)23-16-6-9-21-10-7-16/h2-13H,20H2,1H3,(H,21,23,24).
What are the key properties of 4-(1-aminoethyl)-3-pyridin-3-yl-N-pyridin-4-ylbenzamide?
4-(1-aminoethyl)-3-pyridin-3-yl-N-pyridin-4-ylbenzamide has a molecular weight of 318.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-3-pyridin-3-yl-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 16666141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).